sapphyrin PCI-2053 (CHEBI:50291)

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CHEBI:50291 - sapphyrin PCI-2053

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ChEBI ID	CHEBI:50291
ChEBI Name	sapphyrin PCI-2053
Stars
Last Modified	17 July 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C66H99N7O16
Net Charge	0
Average Mass	1246.551
Monoisotopic Mass	1245.71483
SMILES	CCc1c(CC)c2cc3nc(cc4ccc(n4)c4ccc(cc5nc(cc1n2)C(CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC)=C5C)n4)C(C)=C3CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC
InChI	InChI=1S/C66H99N7O16/c1-9-53-54(10-2)62-48-64-56(14-12-24-89-66(75)73(21-27-82-39-43-86-35-31-78-7)22-28-83-40-44-87-36-32-79-8)50(4)60(70-64)46-52-16-18-58(68-52)57-17-15-51(67-57)45-59-49(3)55(63(69-59)47-61(53)71-62)13-11-23-88-65(74)72(19-25-80-37-41-84-33-29-76-5)20-26-81-38-42-85-34-30-77-6/h15-18,45-48,67-68,71H,9-14,19-44H2,1-8H3/b51-45-,52-46-,58-57-,59-45-,60-46-,61-47-,62-48-,63-47-,64-48-
InChIKey	SJKBHZFWKUDPHS-IABNOPMVSA-N

ChEBI Ontology

Outgoing Relation(s)
	sapphyrin PCI-2053 (CHEBI:50291) is a substituted sapphyrin (CHEBI:50287)

IUPAC Name
[(6Z,11Z,15Z,20Z)-13,14-diethyl-8,19-dimethyl-25,26,27,28,29-pentaazahexacyclo[20.2.1.1^2,5.1^7,10.1^12,15.1^17,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene-9,18-diyl]dipropane-3,1-diyl bis(bis{2-[2-(2-methoxyethoxy)ethoxy]ethyl}carbamate)